Investigating Quantum Approximate Optimization Algorithms under Bang-bang Protocols

google-research/google-research 27 May 2020

The quantum approximate optimization algorithm (QAOA) is widely seen as a possible usage of noisy intermediate-scale quantum (NISQ) devices.

Quantum Physics

Explaining reaction coordinates of alanine dipeptide isomerization obtained from deep neural networks using Explainable Artificial Intelligence (XAI)

marcotcr/lime 15 Feb 2022

A method for obtaining appropriate reaction coordinates is required to identify transition states distinguishing product and reactant in complex molecular systems.

Chemical Physics Soft Condensed Matter

Optimal synthesis into fixed XX interactions

Qiskit/qiskit-terra 3 Nov 2021

We describe an optimal procedure, as well as its efficient software implementation, for exact and approximate synthesis of two-qubit unitary operations into any prescribed discrete family of XX-type interactions and local gates.

Quantum Physics Symplectic Geometry 81Q99, 53D45

Software Mitigation of Crosstalk on Noisy Intermediate-Scale Quantum Computers

Qiskit/qiskit-terra 9 Jan 2020

Our goal is to mitigate the application impact of crosstalk noise through software techniques.

Quantum Physics Emerging Technologies

Exact and practical pattern matching for quantum circuit optimization

Qiskit/qiskit-terra 11 Sep 2019

An important building block for many quantum circuit optimization techniques is pattern matching, where given a large and a small quantum circuit, we are interested in finding all maximal matches of the small circuit, called pattern, in the large circuit, considering pairwise commutation of quantum gates.

Quantum Physics Data Structures and Algorithms

Modified Shallow Water Equations for significantly varying seabeds

huwb/crest-oceanrender 29 Feb 2012

The novel system is a non-dispersive non-hydrostatic extension of the classical Saint-Venant equations.

Classical Physics Analysis of PDEs Numerical Analysis Computational Physics Fluid Dynamics

TensorNetwork on TensorFlow: Entanglement Renormalization for quantum critical lattice models

google/TensorNetwork 28 Jun 2019

We use the MERA to approximate the ground state wave function of the infinite, one-dimensional transverse field Ising model at criticality, and extract conformal data from the optimized ansatz.

Computational Physics

ELECTRODE: An electrochemistry package for atomistic simulations

lammps/lammps 29 Mar 2022

Here we present a feature-rich CPM implementation, called ELECTRODE, for the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS), which includes a constrained charge method and a thermo-potentiostat.

Chemical Physics Computational Physics

Entangling Quantum Generative Adversarial Networks

tensorflow/quantum 30 Apr 2021

Generative adversarial networks (GANs) are one of the most widely adopted semisupervised and unsupervised machine learning methods for high-definition image, video, and audio generation.

Quantum Physics

OpenFermion: The Electronic Structure Package for Quantum Computers

quantumlib/OpenFermion 20 Oct 2017

Quantum simulation of chemistry and materials is predicted to be an important application for both near-term and fault-tolerant quantum devices.

Quantum Physics Chemical Physics Computational Physics